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164 related items for PubMed ID: 23865724

  • 1. Dynamics and thermodynamics of crystalline polymorphs. 2. β-Glycine, analysis of variable-temperature atomic displacement parameters.
    Aree T, Bürgi HB, Minkov VS, Boldyreva EV, Chernyshov D, Törnroos KW.
    J Phys Chem A; 2013 Aug 22; 117(33):8001-9. PubMed ID: 23865724
    [Abstract] [Full Text] [Related]

  • 2. Dynamics and thermodynamics of crystalline polymorphs: α-glycine, analysis of variable-temperature atomic displacement parameters.
    Aree T, Bürgi HB, Capelli SC.
    J Phys Chem A; 2012 Aug 02; 116(30):8092-9. PubMed ID: 22746958
    [Abstract] [Full Text] [Related]

  • 3. Dynamics and thermodynamics of crystalline polymorphs. 3. γ-Glycine, analysis of variable-temperature atomic displacement parameters, and comparison of polymorph stabilities.
    Aree T, Bürgi HB, Chernyshov D, Törnroos KW.
    J Phys Chem A; 2014 Oct 30; 118(43):9951-9. PubMed ID: 25271763
    [Abstract] [Full Text] [Related]

  • 4. Specific heat of molecular crystals from atomic mean square displacements with the Einstein, Debye, and Nernst-Lindemann models.
    Aree T, Bürgi HB.
    J Phys Chem B; 2006 Dec 28; 110(51):26129-34. PubMed ID: 17181267
    [Abstract] [Full Text] [Related]

  • 5. Temperature study of a glycine radical in the solid state adopting a DFT periodic approach: vibrational analysis and comparison with EPR experiments.
    Pauwels E, Verstraelen T, De Cooman H, Van Speybroeck V, Waroquier M.
    J Phys Chem B; 2008 Jun 26; 112(25):7618-30. PubMed ID: 18512888
    [Abstract] [Full Text] [Related]

  • 6. Structure-property relationships in the crystals of the smallest amino acid: an incoherent inelastic neutron scattering study of the glycine polymorphs.
    Bordallo HN, Boldyreva EV, Buchsteiner A, Koza MM, Landsgesell S.
    J Phys Chem B; 2008 Jul 24; 112(29):8748-59. PubMed ID: 18578525
    [Abstract] [Full Text] [Related]

  • 7. Glycine phases formed from frozen aqueous solutions: revisited.
    Surovtsev NV, Adichtchev SV, Malinovsky VK, Ogienko AG, Drebushchak VA, Manakov AY, Ancharov AI, Yunoshev AS, Boldyreva EV.
    J Chem Phys; 2012 Aug 14; 137(6):065103. PubMed ID: 22897314
    [Abstract] [Full Text] [Related]

  • 8. The molecular structure, geometry, stability, thermal and fundamental modes of vibration of glycine dimer by DFT methods.
    Kishor Kumar J, Gunasekaran S, Loganathan S, Anand G, Kumaresan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Nov 14; 115():730-7. PubMed ID: 23892114
    [Abstract] [Full Text] [Related]

  • 9. Raman study of low-frequency modes in three glycine polymorphs.
    Surovtsev NV, Malinovsky VK, Boldyreva EV.
    J Chem Phys; 2011 Jan 28; 134(4):045102. PubMed ID: 21280803
    [Abstract] [Full Text] [Related]

  • 10. Crystallization of glycine with ultrasound.
    Louhi-Kultanen M, Karjalainen M, Rantanen J, Huhtanen M, Kallas J.
    Int J Pharm; 2006 Aug 31; 320(1-2):23-9. PubMed ID: 16759826
    [Abstract] [Full Text] [Related]

  • 11. Growth of gamma glycine crystal and its characterisation.
    Peter ME, Ramasamy P.
    Spectrochim Acta A Mol Biomol Spectrosc; 2010 May 31; 75(5):1417-21. PubMed ID: 20299279
    [Abstract] [Full Text] [Related]

  • 12. Force field for molecular dynamics studies of glycine/water mixtures in crystal/solution environments.
    Gnanasambandam S, Hu Z, Jiang J, Rajagopalan R.
    J Phys Chem B; 2009 Jan 22; 113(3):752-8. PubMed ID: 19115812
    [Abstract] [Full Text] [Related]

  • 13. High-resolution solid-state 2H NMR spectroscopy of polymorphs of glycine.
    Aliev AE, Mann SE, Rahman AS, McMillan PF, Corà F, Iuga D, Hughes CE, Harris KD.
    J Phys Chem A; 2011 Nov 10; 115(44):12201-11. PubMed ID: 21939265
    [Abstract] [Full Text] [Related]

  • 14. Vibrational averaging of the chemical shift in crystalline α-glycine.
    Dračínský M, Bouř P.
    J Comput Chem; 2012 Apr 15; 33(10):1080-9. PubMed ID: 22410968
    [Abstract] [Full Text] [Related]

  • 15. Experimental thermodynamics of free glycine conformations: the first Raman experiment after twenty years of calculations.
    Balabin RM.
    Phys Chem Chem Phys; 2012 Jan 07; 14(1):99-103. PubMed ID: 21842081
    [Abstract] [Full Text] [Related]

  • 16. X-ray diffraction data as a source of the vibrational free-energy contribution in polymorphic systems.
    Kofoed PM, Hoser AA, Diness F, Capelli SC, Madsen AØ.
    IUCrJ; 2019 Jul 01; 6(Pt 4):558-571. PubMed ID: 31316801
    [Abstract] [Full Text] [Related]

  • 17. The vibrational behavior of silica clusters at the glass transition: Ab initio calculations and thermodynamic implications.
    Ottonello G, Zuccolini MV, Belmonte D.
    J Chem Phys; 2010 Sep 14; 133(10):104508. PubMed ID: 20849179
    [Abstract] [Full Text] [Related]

  • 18. Anisotropic displacement parameters for H atoms using an ONIOM approach.
    Whitten AE, Spackman MA.
    Acta Crystallogr B; 2006 Oct 14; 62(Pt 5):875-88. PubMed ID: 16983168
    [Abstract] [Full Text] [Related]

  • 19. Molecular dynamics simulations of glycine crystal-solution interface.
    Banerjee S, Briesen H.
    J Chem Phys; 2009 Nov 14; 131(18):184705. PubMed ID: 19916621
    [Abstract] [Full Text] [Related]

  • 20. Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics.
    Pallipurath AR, Skelton JM, Warren MR, Kamali N, McArdle P, Erxleben A.
    Mol Pharm; 2015 Oct 05; 12(10):3735-48. PubMed ID: 26317333
    [Abstract] [Full Text] [Related]

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